Nonlinear algorithm for the solution of the Kohn-Sham equations in solids

We apply a nonlinear multigrid algorithm, named the full approximation storage (FAS) scheme, to the Kohn-Sham equations for pseudopotential band structure calculations. Traditionally, the nonlinear self-consistent problem is linearized into successive fixed potential eigenvalue problems with potenti...

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Bibliographic Details

Published in:	Journal of physics. Condensed matter Vol. 17; no. 25; p. 3701
Main Authors:	Wang, Jian, Wang, Yu, Yu, Shaoying, Kolb, Dietmar
Format:	Journal Article
Language:	English
Published:	England 29.06.2005
ISSN:	0953-8984
Online Access:	Get more information
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